8-(3-amino-1,1,1-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

C11H19F3N2O — CID 55243754

IUPAC8-(3-amino-1,1,1-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(N)C(N1C2CCC1CC(O)C2)C(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-6(15)10(11(12,13)14)16-7-2-3-8(16)5-9(17)4-7/h6-10,17H,2-5,15H2,1H3
InChIKeyRTIHTABUHMGOTK-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.25
Rot. Bonds2

About 8-(3-amino-1,1,1-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

8-(3-amino-1,1,1-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 55243754) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 8-(3-amino-1,1,1-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(3-amino-1,1,1-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID55243754
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name8-(3-amino-1,1,1-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(N)C(N1C2CCC1CC(O)C2)C(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-6(15)10(11(12,13)14)16-7-2-3-8(16)5-9(17)4-7/h6-10,17H,2-5,15H2,1H3
InChIKeyRTIHTABUHMGOTK-UHFFFAOYSA-N
XLogP1.25
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(3-amino-1,1,1-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(3-amino-1,1,1-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 55243754) is 8-(3-amino-1,1,1-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(3-amino-1,1,1-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(3-amino-1,1,1-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is CC(N)C(N1C2CCC1CC(O)C2)C(F)(F)F.
What is the InChIKey of 8-(3-amino-1,1,1-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is RTIHTABUHMGOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-6(15)10(11(12,13)14)16-7-2-3-8(16)5-9(17)4-7/h6-10,17H,2-5,15H2,1H3.
What are the key properties of 8-(3-amino-1,1,1-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(3-amino-1,1,1-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 252.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-amino-1,1,1-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 55243754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).